3,4-dihydroxy-6-[4-hydroxy-5-(hydroxymethyl)-2-(sulfooxymethyl)oxolan-3-yl]oxy-5-sulfooxyoxane-2-carboxylic acid
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![3,4-dihydroxy-6-[4-hydroxy-5-(hydroxymethyl)-2-(sulfooxymethyl)oxolan-3-yl]oxy-5-sulfooxyoxane-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/4eeaa77e948541209b426a7d59db33a6.png "3,4-dihydroxy-6-[4-hydroxy-5-(hydroxymethyl)-2-(sulfooxymethyl)oxolan-3-yl]oxy-5-sulfooxyoxane-2-carboxylic acid")
3,4-dihydroxy-6-[4-hydroxy-5-(hydroxymethyl)-2-(sulfooxymethyl)oxolan-3-yl]oxy-5-sulfooxyoxane-2-carboxylic acid
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CAS No:
98632-68-9
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Formula:
C12H20O17S2
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Chemical Name:
3,4-dihydroxy-6-[4-hydroxy-5-(hydroxymethyl)-2-(sulfooxymethyl)oxolan-3-yl]oxy-5-sulfooxyoxane-2-carboxylic acid
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Synonyms:
GSMS;O-(glucuronic acid 2-sulfate)-(1--4)-O-(2,5)-anhydromannitol 6-sulfate;98632-68-9;GSMS;2,5-anhydro-1-o-sulfo-3-o-(2-o-sulfohexopyranuronosyl)hexitol;O-(glucuronic acid 2-sulfate)-(1--4)-O-(2,5)-anhydromannitol 6-sulfate;SCHEMBL20149721;DTXSID30913154;3,4-dihydroxy-6-[4-hydroxy-5-(hydroxymethyl)-2-(sulfooxymethyl)oxolan-3-yl]oxy-5-sulfooxyoxane-2-carboxylic acid;FT-0670279;D-Mannitol, 2,5-anhydro-3-O-(2-O-sulfo-beta-D-glucopyranuronosyl)-, 1-(hydrogen sulfate)
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CAS No:
3,4-dihydroxy-6-[4-hydroxy-5-(hydroxymethyl)-2-(sulfooxymethyl)oxolan-3-yl]oxy-5-sulfooxyoxane-2-carboxylic acid Basic Attributes
500.4 g/mol
500.01419151 g/mol
Computed Properties
Molecular Weight:500.4
XLogP3:-4.2
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:17
Rotatable Bond Count:9
Exact Mass:500.01419151
Monoisotopic Mass:500.01419151
Topological Polar Surface Area:290
Heavy Atom Count:31
Complexity:830
Undefined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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